Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9732797 | 1.00 | ALDH1A1 (0.57) | ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL9383414 | 0.82 | NPSR1 (0.44) | ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL9618662 | 0.82 | SMN1; SMN2 (0.43) | ALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL9618663 | 0.82 | SMN1; SMN2 (0.43) | ALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL9382970 | 0.81 | CTSA (0.41) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL9732722 | 0.81 | CTSA (0.41) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL29416506 | 0.80 | NFE2L2 (0.48) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL9384516 | 0.80 | ALDH1A1 (0.61) | ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL9384512 | 0.80 | ALDH1A1 (0.61) | ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL30615664 | 0.80 | ALDH1A1 (0.61) | ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992013846-A1 | PYRIMIDINYL- AND TRIAZINYLSALICYL- AND -PICOLINYLALDEHYDE DERIVATIVES | CIBA-GEIGY AG (CH) | 1992-08-20 | — | — | WO | claimed |
| WO-1992013846-A1 | PYRIMIDINYL- AND TRIAZINYLSALICYL- AND -PICOLINYLALDEHYDE DERIVATIVES | CIBA-GEIGY AG (CH) | 1992-08-20 | — | — | WO | disclosed |